(12S)-12-methyl-5,7,11,13,17-pentahydroxynonadec-2,8-dienoyl-[SpnE polyketide synthase]

Properties Image MNX_ID MNXM1562585 reference metacycM:12-Methyl-pentahydroxynonadec-2-8-dienoyl-SpnE formula C34H59N3O14PS*2 global charge -1 mol weight   InChIKey   InChI   SMILES [*]N[C@@H](COP(=O)([O-])OCC(C)(C)[C@@H](O)C(=O)NCCC(=O)NCCSC(=O)/C=C/CC(O)CC(O)/C=C/CC(O)[C@@H](C)C(O)CCCC(O)CC)C([*])=O MNX internals InChI (mnx) InChI=1/C36H66N3O14PS/c1-7-26(41)11-8-14-30(44)24(2)31(45)15-9-12-27(42)21-28(43)13-10-16-33(47)55-20-19-38-32(46)17-18-39-35(49)34(48)36(4,5)23-53-54(50,51)52-22-29(37-6)25(3)40/h9-10,12,16,24,26-31,34,37,41-45,48H,7-8,11,13-15,17-23H2,1-6H3,(H,38,46)(H,39,49)(H,50,51)/b12-9+,16-10+/t24-,26?,27?,28?,29-,30?,31?,34-/m0/s1/i3+1,6+1 SMILES (mnx) [CH3:1][CH2:7][CH:26]([CH2:11][CH2:8][CH2:14][CH:30]([C@H:24]([CH3:2])[CH:31]([CH2:15]/[CH:9]=[CH:12]/[CH:27]([CH2:21][CH:28]([CH2:13]/[CH:10]=[CH:16]/[C:33](=[O:47])[S:55][CH2:20][CH2:19][N:38]=[C:32]([CH2:17][CH2:18][N:39]=[C:35]([C@@H:34]([C:36]([CH3:4])([CH3:5])[CH2:23][O:53][P:54]([OH:50])(=[O:51])[O:52][CH2:22][C@@H:29]([C:25]([13CH3:3])=[O:40])[NH:37][13CH3:6])[OH:48])[OH:49])[OH:46])[OH:43])[OH:42])[OH:45])[OH:44])[OH:41]

Parent-child relations graph

Occurences in reactions #reac in my sandbox 0 in MNXref (generic) 2 in models (compartimentalized) 0